Searched defs:ccsd_ir_eval (Results 1 – 2 of 2) sorted by relevance
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | ccsd_imaginary.F | 1569 9120 format(1x,A)
1570 9121 format(/,1x,A)
1571 9122 format(1x,A,i4)
1576 9410 format(
1604 2 1x,'C6(XX) ',f15.7,/
1605 3 1x,'C6(YY) ',f15.7,/
1606 4 1x,'C6(ZZ) ',f15.7,/
1607 5 1x,'C6(XY) ',f15.7,/
1608 6 1x,'C6(XZ) ',f15.7,/
1609 7 1x,'C6(YZ) ',f15.7,/
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | ccsd_imaginary.F | 1347 integer i,j,dummy,axis
1356 integer d_a0,d_f1,d_v2,d_d1(3)
1357 integer d_t1,d_t2,d_lambda1,d_lambda2
1358 integer k_a0_offset,k_f1_offset,k_v2_offset,k_d1_offset(3)
1359 integer k_t1_offset,k_t2_offset,k_l1_offset,k_l2_offset
1360 integer d_tr1(9),d_tr2(9)
1361 integer k_tr1_offset(3),k_tr2_offset(3)
1365 double precision cpu, wall
1366 double precision alpha1,alpha2,alpha3,alpha4
1569 9120 format(1x,A)
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